2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide

C21H26N6O3 — CID 110278280

IUPAC2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCC1CCCCN1c1ccn2c(=O)n(CC(=O)Nc3ccccc3OC)nc2n1
InChIInChI=1S/C21H26N6O3/c1-3-15-8-6-7-12-25(15)18-11-13-26-20(23-18)24-27(21(26)29)14-19(28)22-16-9-4-5-10-17(16)30-2/h4-5,9-11,13,15H,3,6-8,12,14H2,1-2H3,(H,22,28)
InChIKeyOJHMYBOQQMDYPF-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.31
Rot. Bonds6

About 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide

2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 110278280) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID110278280
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCC1CCCCN1c1ccn2c(=O)n(CC(=O)Nc3ccccc3OC)nc2n1
InChIInChI=1S/C21H26N6O3/c1-3-15-8-6-7-12-25(15)18-11-13-26-20(23-18)24-27(21(26)29)14-19(28)22-16-9-4-5-10-17(16)30-2/h4-5,9-11,13,15H,3,6-8,12,14H2,1-2H3,(H,22,28)
InChIKeyOJHMYBOQQMDYPF-UHFFFAOYSA-N
XLogP2.31
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetyl]amino]benzoate
CID 53201445
N-(2-methoxy-5-methylphenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 171323344
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109288627
2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95921785
2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(3-methoxyphenyl)acetamide
CID 53201380
N-(2,4-dimethoxyphenyl)-2-[7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamide
CID 95921751
N-(3-fluoro-4-methoxyphenyl)-2-(3-oxo-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 53201454
4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 51170589
N-(4-acetamidophenyl)-2-(3-oxo-7-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 171323338
2-[7-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 53201385
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
(5R)-2-[(2R)-2-ethylpiperidin-1-yl]-N-(2-methoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028128

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide (CID 110278280) is 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide is CCC1CCCCN1c1ccn2c(=O)n(CC(=O)Nc3ccccc3OC)nc2n1.
What is the InChIKey of 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is OJHMYBOQQMDYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-3-15-8-6-7-12-25(15)18-11-13-26-20(23-18)24-27(21(26)29)14-19(28)22-16-9-4-5-10-17(16)30-2/h4-5,9-11,13,15H,3,6-8,12,14H2,1-2H3,(H,22,28).
What are the key properties of 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide?
2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 410.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-ethylpiperidin-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 110278280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).